CID 71367627

3-(heptafluoropropyl)pentane-1,5-diol

Structural Information

Molecular Formula
C8H11F7O2
SMILES
C(CO)C(CCO)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H11F7O2/c9-6(10,5(1-3-16)2-4-17)7(11,12)8(13,14)15/h5,16-17H,1-4H2
InChIKey
UAAOSQWHVBRSMT-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropyl)pentane-1,5-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

272.06473 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.072006 152.1
[M+Na]+ 295.053948 158.9
[M-H]- 271.057454 140.7
[M+NH4]+ 290.098553 166.6
[M+K]+ 311.027888 156.2
[M+H-H2O]+ 255.061990 142.7
[M+HCOO]- 317.062931 159.5
[M+CH3COO]- 331.078581 193.4
[M+Na-2H]- 293.039396 154.2
[M]+ 272.06418142 141.4
[M]- 272.06527858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe